4-chloro-1-(cyclopropylmethyl)-5-[(4-methylpyridin-3-yl)ethynyl]-1H-benzotriazole | 1408299-43-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 4-chloro-1-(cyclopropylmethyl)-5-[(4-methylpyridin-3-yl)ethynyl]-1H-benzotriazole
• 英文别名: 4-chloro-1-(cyclopropylmethyl)-5-[2-(4-methylpyridin-3-yl)ethynyl]benzotriazole
• CAS: 1408299-43-3
• 化学式: C₁₈H₁₅ClN₄
• 分子量: 322.797
• InChiKey: WKBYWRHFODWFAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-硝基-4-甲氧基苯胺 在 copper(l) iodide 甲醇 、 磺酰氯 、 甲烷磺酸 、 氢气 、 三溴化硼 、 potassium carbonate 、 溶剂黄146 、 三乙胺 、 N,N-二异丙基乙胺 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 90.0 ℃ 、275.8 kPa 条件下， 反应 85.88h， 生成 4-chloro-1-(cyclopropylmethyl)-5-[(4-methylpyridin-3-yl)ethynyl]-1H-benzotriazole
  参考文献：
  名称：

  [EN] ALKYNE BENZOTRIAZOLE DERIVATIVES
  [FR] DÉRIVÉS ALCYNE BENZOTRIAZOLES

  摘要：

  本发明涉及炔基苯并三唑衍生物，它们是代谢型谷氨酸受体的增效剂，特别是mGluR2受体，可用于治疗或预防与谷氨酸功能障碍相关的神经学和精神疾病以及代谢型谷氨酸受体参与的疾病。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病中的使用。

  公开号：

  WO2012151139A1

文献信息

• Alkyne benzotriazole derivatives
  申请人：Kuduk Scott D.

  公开号：US08772276B2

  公开（公告）日：2014-07-08

  The present invention is directed to alkyne benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及炔基苯并三氮唑衍生物，其为代谢型谷氨酸受体的增效剂，特别是mGluR2受体，并且对于与谷氨酸功能紊乱相关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病的治疗或预防有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗与代谢型谷氨酸受体有关的这些疾病中使用这些化合物和组合物。
• ALKYNE BENZOTRIAZOLE DERIVATIVES
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140088112A1

  公开（公告）日：2014-03-27

  The present invention is directed to alkyne benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及炔基苯并三唑衍生物，其是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，且这些衍生物在治疗或预防与谷氨酸功能失调相关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病中有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗这些代谢型谷氨酸受体参与的疾病中使用这些化合物和组合物。
• US8772276B2
  申请人：——

  公开号：US8772276B2

  公开（公告）日：2014-07-08
• [EN] ALKYNE BENZOTRIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS ALCYNE BENZOTRIAZOLES
  申请人：MERCK SHARP & DOHME

  公开号：WO2012151139A1

  公开（公告）日：2012-11-08

  The present invention is directed to alkyne benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及炔基苯并三唑衍生物，它们是代谢型谷氨酸受体的增效剂，特别是mGluR2受体，可用于治疗或预防与谷氨酸功能障碍相关的神经学和精神疾病以及代谢型谷氨酸受体参与的疾病。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病中的使用。